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7-氨基-4-甲基香豆素-3-乙酸(AMCA)CAS号 : 106562-32-7 Compound CID : 129367分子式: C12H11NO4 分子量: 233.22IUPAC Name: 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetic acidSMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)OInChIKey: QEQDLKUMPUDNPG-UHFFFAOYSA-NInChI: InChI=1S/C12H11NO4/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4H,5,13H2,1H3,(H,14,15)
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奎宁CAS号 : 130-95-0分子式: C20H24N2O2 分子量: 324.42IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolSMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)OInChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-NInChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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2,4-十二碳二烯醛CAS号 : 21662-16-8 Compound CID : 5367530分子式: C12H20O 分子量: 180.29IUPAC Name: (2E,4E)-dodeca-2,4-dienalSMILES: CCCCCCCC=CC=CC=OInChIKey: QKTZBZWNADPFOL-BNFZFUHLSA-NInChI: InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-12H,2-7H2,1H3/b9-8+,11-10+
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2,5-二甲基-3-氧代-(2H)-fur-4-基 丁酸盐CAS号 : 114099-96-6 Compound CID : 19872333分子式: C10H14O4 分子量: 198.22IUPAC Name: (2,5-dimethyl-4-oxofuran-3-yl) butanoateSMILES: CCCC(=O)OC1=C(OC(C1=O)C)CInChIKey: JOLGAERKCZYHLF-UHFFFAOYSA-NInChI: InChI=1S/C10H14O4/c1-4-5-8(11)14-10-7(3)13-6(2)9(10)12/h6H,4-5H2,1-3H3
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2-丁基-2-辛烯醛CAS号 : 13019-16-4 Compound CID : 5362697分子式: C12H22O 分子量: 182.3IUPAC Name: (Z)-2-butyloct-2-enalSMILES: CCCCCC=C(CCCC)C=OInChIKey: LYGMPIZYNJGJKP-BENRWUELSA-NInChI: InChI=1S/C12H22O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h10-11H,3-9H2,1-2H3/b12-10-
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2-甲基-3-呋喃硫醇CAS号 : 28588-74-1 Compound CID : 34286分子式: C5H6OS 分子量: 114.17IUPAC Name: 2-methylfuran-3-thiolSMILES: CC1=C(C=CO1)SInChIKey: RUYNUXHHUVUINQ-UHFFFAOYSA-NInChI: InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
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反式-2,4-癸二烯醛CAS号 : 25152-84-5 Compound CID : 5283349分子式: C10H16O 分子量: 152.23IUPAC Name: (2E,4E)-deca-2,4-dienalSMILES: CCCCCC=CC=CC=OInChIKey: JZQKTMZYLHNFPL-BLHCBFLLSA-NInChI: InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
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